SCHEMBL12293715

SCHEMBL12293715

[C-]#[N+]c1ccc2[nH]c(CCC)cc2c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 3/20 0.35
▸ CTSV O60911 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ RHEB Q15382 3/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ PTGDR Q13258 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ ADORA1 P30542 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ MPO P05164 1/20 0.31
▸ TPO P07202 1/20 0.31
▸ LPO P22079 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TAS2R38 P59533 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12293747 0.82 RHEB (0.32) RHEB
SCHEMBL12293437 0.79 GHSR (0.35) GHSRCTSVCTSLTSHRHSD17B10
SCHEMBL12293720 0.78 HPGD (0.45) TSHRHSD17B10MEN1KMT2A
SCHEMBL2429017 0.77 MEN1 (0.43) GHSRCTSVCTSLRHEBSIRT1
SCHEMBL12293467 0.71 GHSR (0.41) GHSRCTSVCTSLMEN1KMT2A
SCHEMBL14231597 0.70 ADORA1 (0.40) GHSRCTSVCTSLSIRT1TSHR
SCHEMBL12293739 0.70 KDM4E (0.42) —
SCHEMBL14756944 0.67 KDM4E (0.40) GHSRCTSVCTSLTSHRHSD17B10
SCHEMBL12293378 0.67 MEN1 (0.34) MEN1KMT2A
SCHEMBL2741053 0.64 TAAR1 (0.30) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673948-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2014-03-18 — — US disclosed
US-20110301203-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-12-08 — — US disclosed
US-8026262-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2011-09-27 — — US disclosed
US-20090264482-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-10-22 — — US disclosed
US-7572820-B2 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2009-08-11 — — US disclosed
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090264482-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA GHSR 444/4885CTSV 3389/4885CTSL 3665/4885
US-20110301203-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA GHSR 444/4885CTSV 3389/4885CTSL 3665/4885
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators AR, NR5A1, NR3C2 GHSR 25/4885CTSV 4805/4885CTSL 4571/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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